{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.020843 0.92991 0.75 ] [ 0.520843 0.57009 0.25 ] [ 0.479157 0.42991 0.75 ] [ 0.979157 0.07009 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.690475 0.304585 0.439489 ] [ 0.190475 0.195415 0.560511 ] [ 0.809525 0.804585 0.060511 ] [ 0.309525 0.695415 0.939489 ] [ 0.309525 0.695415 0.560511 ] [ 0.809525 0.804585 0.439489 ] [ 0.190475 0.195415 0.939489 ] [ 0.690475 0.304585 0.060511 ] [ 0.118661 0.455312 0.25 ] [ 0.618661 0.044688 0.75 ] [ 0.381339 0.955312 0.25 ] [ 0.881339 0.544688 0.75 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.26750362 "source-unit" "angstrom" } "b" { "source-value" 5.59176049 "source-unit" "angstrom" } "c" { "source-value" 7.62117396 "source-unit" "angstrom" } }